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N,N-Dipropyltryptamine
CAS: 61-52-9 | C16H24N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
61-52-9
Molecular Formula:
C16H24N2
Molecular Mass:
244.38 g/mol
Names and Synonyms:
N,N-Dipropyltryptamine
N,N-Dipropyl-1H-indole-3-ethanamine
1H-Indole-3-ethanamine, N,N-dipropyl-
Indole, 3-[2-(dipropylamino)ethyl]-
N,N-Dipropyltryptamine
DPT
Identifiers:
SMILES:
CCCN(CCC)CCc1c[nH]c2ccccc12
InChI:
InChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
Key Properties
Melting Point
174-178 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.38 g/mol | CAS Common Chemistry |
| 244.382 g/mol | RDKit | |
| 244.19394876799998 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC2=C(C1)NC=C2CCN(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BOOQTIHIKDDPRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174-178 °C | CAS Common Chemistry |
| Name | N,N-Dipropyltryptamine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 19.03 Ų | RDKit |
| LogP | 3.8324000000000025 | RDKit |
| Molar Refractivity | 79.02470000000005 | RDKit |
